Expanding peakrange in fillpeaks

[sneumann]

Expanding peakrange in fillpeaks

[jorainer]

Closing this issue (the oldest one we've had still open!), because this feature is added in the new user interface functions: possibility to expand the are by a constant or relative value in both m/z and rt dimension.

[stanstrup]

Thanks. I did make a pull request for a minimum widths of mz and rt. Just used absolute widths instead of ppm. I think you also found a bug in my code though.
Right now there are only the expand options while the minimum options would be more helpful.

[stanstrup]

I have reopened this. See the pull request here: #3
What needs to happen to get this included?

[stanstrup]

Forgot to say that I would really like this included as soon as possible since the version the pull request was based on is no longer compatible with current versions of the dependencies, so I cannot use my fork.

[stanstrup]

Is it possible to use FillChromPeaksParam (so that you can use the ppm setting that sets a minimum width) in the old workflow?
I still consider this a pretty critical issue that current fillpeaks will try to integrate in an essentially 0 width m/z slice.

[jorainer]

Unfortunately FillChromPeaksParam can not be used in the old workflow. The new fillChromPeaks uses completely different code, i.e. it really reads raw data to fill in peaks. In the old workflow, even if you used centWave and thus did never have the need for the profile matrix, the peaks are filled in from the profile matrix.

I'll check if and how I can include this parameter in the old workflow too.